5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol

C16H30N12O — CID 139460807

IUPAC5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol
SMILESNc1nc(N)nc(NCCCCCNc2nc(N)nc(NCCCCCO)n2)n1
InChIInChI=1S/C16H30N12O/c17-11-23-12(18)25-14(24-11)20-7-3-1-4-8-21-15-26-13(19)27-16(28-15)22-9-5-2-6-10-29/h29H,1-10H2,(H5,17,18,20,23,24,25)(H4,19,21,22,26,27,28)
InChIKeyWNFDLQCOQZLNIQ-UHFFFAOYSA-N
MW406.50 g/mol
LogP0.07
Rot. Bonds14

About 5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol

5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol (PubChem CID 139460807) has the molecular formula C16H30N12O and a molecular weight of 406.50 g/mol. Its IUPAC name is 5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol
PubChem CID139460807
Molecular FormulaC16H30N12O
Molecular Weight406.50 g/mol
Exact Mass406.27
IUPAC Name5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol
SMILESNc1nc(N)nc(NCCCCCNc2nc(N)nc(NCCCCCO)n2)n1
InChIInChI=1S/C16H30N12O/c17-11-23-12(18)25-14(24-11)20-7-3-1-4-8-21-15-26-13(19)27-16(28-15)22-9-5-2-6-10-29/h29H,1-10H2,(H5,17,18,20,23,24,25)(H4,19,21,22,26,27,28)
InChIKeyWNFDLQCOQZLNIQ-UHFFFAOYSA-N
XLogP0.07
TPSA211.72 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500406.50
LogP ≤ 50.07
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-[(4,6-diamino-1,3,5-triazin-2-yl)amino]dodecan-1-ol
CID 139959880
5-[[4-[5-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentylamino]-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 139460958
4-[[4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]butylamino]-6-(4-fluorobutylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 145427155
5-[[4,6-bis(5-hydroxypentylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 12010696
7-[[4,6-bis(7-hydroxyheptylamino)-1,3,5-triazin-2-yl]amino]heptan-1-ol
CID 139959885
6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 107855348
2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine
CID 68586329
2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine
CID 44590289
2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane
CID 142941534
5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107324353
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772035
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197

Frequently Asked Questions

What is the IUPAC name of 5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol?
The IUPAC name of 5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol (CID 139460807) is 5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol?
The canonical SMILES for 5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol is Nc1nc(N)nc(NCCCCCNc2nc(N)nc(NCCCCCO)n2)n1.
What is the InChIKey of 5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol?
The InChIKey is WNFDLQCOQZLNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N12O/c17-11-23-12(18)25-14(24-11)20-7-3-1-4-8-21-15-26-13(19)27-16(28-15)22-9-5-2-6-10-29/h29H,1-10H2,(H5,17,18,20,23,24,25)(H4,19,21,22,26,27,28).
What are the key properties of 5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol?
5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol has a molecular weight of 406.50 g/mol, XLogP of 0.07, 14 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol is sourced from PubChem (CID 139460807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).