2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine

C6H13N7 — CID 44590289

IUPAC2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine
SMILESNCCCNc1nc(N)nc(N)n1
InChIInChI=1S/C6H13N7/c7-2-1-3-10-6-12-4(8)11-5(9)13-6/h1-3,7H2,(H5,8,9,10,11,12,13)
InChIKeyBDKALSILPCJVRJ-UHFFFAOYSA-N
MW183.22 g/mol
LogP-1.20
Rot. Bonds4

About 2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine

2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 44590289) has the molecular formula C6H13N7 and a molecular weight of 183.22 g/mol. Its IUPAC name is 2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID44590289
Molecular FormulaC6H13N7
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC Name2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine
SMILESNCCCNc1nc(N)nc(N)n1
InChIInChI=1S/C6H13N7/c7-2-1-3-10-6-12-4(8)11-5(9)13-6/h1-3,7H2,(H5,8,9,10,11,12,13)
InChIKeyBDKALSILPCJVRJ-UHFFFAOYSA-N
XLogP-1.20
TPSA128.76 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane
CID 142941534
12-[(4,6-diamino-1,3,5-triazin-2-yl)amino]dodecan-1-ol
CID 139959880
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
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
2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine
CID 68586329
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
2-N-butyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
CID 25242682
3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoyl chloride
CID 130015511
(3R,5S)-1-[4-(3-aminopropylamino)-6-[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58865845
[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride
CID 158256516
2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine
CID 118119736
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

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine (CID 44590289) is 2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine is NCCCNc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BDKALSILPCJVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N7/c7-2-1-3-10-6-12-4(8)11-5(9)13-6/h1-3,7H2,(H5,8,9,10,11,12,13).
What are the key properties of 2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 183.22 g/mol, XLogP of -1.20, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 44590289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).