2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane

C12H26N6 — CID 142941534

IUPAC2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane
SMILESCCCCC.CCCCNc1nc(N)nc(N)n1
InChIInChI=1S/C7H14N6.C5H12/c1-2-3-4-10-7-12-5(8)11-6(9)13-7;1-3-5-4-2/h2-4H2,1H3,(H5,8,9,10,11,12,13);3-5H2,1-2H3
InChIKeyDUTSCBWBVGVZOK-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.44
Rot. Bonds6

About 2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane

2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane (PubChem CID 142941534) has the molecular formula C12H26N6 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane.

Molecular Properties

Compound Name2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane
PubChem CID142941534
Molecular FormulaC12H26N6
Molecular Weight254.38 g/mol
Exact Mass254.22
IUPAC Name2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane
SMILESCCCCC.CCCCNc1nc(N)nc(N)n1
InChIInChI=1S/C7H14N6.C5H12/c1-2-3-4-10-7-12-5(8)11-6(9)13-7;1-3-5-4-2/h2-4H2,1H3,(H5,8,9,10,11,12,13);3-5H2,1-2H3
InChIKeyDUTSCBWBVGVZOK-UHFFFAOYSA-N
XLogP2.44
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-N-butyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
CID 25242682
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
6-azido-2-N-butyl-1,3,5-triazine-2,4-diamine
CID 110189231
2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine
CID 118119736
4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine
CID 146910951
4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 101120334
12-[(4,6-diamino-1,3,5-triazin-2-yl)amino]dodecan-1-ol
CID 139959880
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
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
2-N-pentyl-1,3,5-triazine-2,4-diamine
CID 11972201
4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine
CID 87963058

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane?
The IUPAC name of 2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane (CID 142941534) is 2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane.
What is the SMILES notation for 2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane?
The canonical SMILES for 2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane is CCCCC.CCCCNc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane?
The InChIKey is DUTSCBWBVGVZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6.C5H12/c1-2-3-4-10-7-12-5(8)11-6(9)13-7;1-3-5-4-2/h2-4H2,1H3,(H5,8,9,10,11,12,13);3-5H2,1-2H3.
What are the key properties of 2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane?
2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane has a molecular weight of 254.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane is sourced from PubChem (CID 142941534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).