2-N-(cyclopenta-1,4-dien-1-ylmethyl)-1,3,5-triazine-2,4,6-triamine

C9H12N6 — CID 158412092

IUPAC2-N-(cyclopenta-1,4-dien-1-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(NCC2=CCC=C2)n1
InChIInChI=1S/C9H12N6/c10-7-13-8(11)15-9(14-7)12-5-6-3-1-2-4-6/h1,3-4H,2,5H2,(H5,10,11,12,13,14,15)
InChIKeyVDARKAIFIPHICO-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.33
Rot. Bonds3

About 2-N-(cyclopenta-1,4-dien-1-ylmethyl)-1,3,5-triazine-2,4,6-triamine

2-N-(cyclopenta-1,4-dien-1-ylmethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 158412092) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-N-(cyclopenta-1,4-dien-1-ylmethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(cyclopenta-1,4-dien-1-ylmethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID158412092
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name2-N-(cyclopenta-1,4-dien-1-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(NCC2=CCC=C2)n1
InChIInChI=1S/C9H12N6/c10-7-13-8(11)15-9(14-7)12-5-6-3-1-2-4-6/h1,3-4H,2,5H2,(H5,10,11,12,13,14,15)
InChIKeyVDARKAIFIPHICO-UHFFFAOYSA-N
XLogP0.33
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-(cyclopenta-1,4-dien-1-ylmethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 158136349
2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 25211898
[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride
CID 158256516
deuterio-[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol
CID 175951264
2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine
CID 44590289
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-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 142726691
2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 136554738
[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;1,2,3,4,5,6-hexachlorocyclohexane
CID 88519304
2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane
CID 142941534
2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80807969
6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine
CID 57316892

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopenta-1,4-dien-1-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(cyclopenta-1,4-dien-1-ylmethyl)-1,3,5-triazine-2,4,6-triamine (CID 158412092) is 2-N-(cyclopenta-1,4-dien-1-ylmethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(cyclopenta-1,4-dien-1-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(cyclopenta-1,4-dien-1-ylmethyl)-1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(NCC2=CCC=C2)n1.
What is the InChIKey of 2-N-(cyclopenta-1,4-dien-1-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VDARKAIFIPHICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c10-7-13-8(11)15-9(14-7)12-5-6-3-1-2-4-6/h1,3-4H,2,5H2,(H5,10,11,12,13,14,15).
What are the key properties of 2-N-(cyclopenta-1,4-dien-1-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(cyclopenta-1,4-dien-1-ylmethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 204.24 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopenta-1,4-dien-1-ylmethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 158412092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).