2-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine

C10H14N6 — CID 157128089

IUPAC2-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCC1=C(CNc2nc(N)nc(N)n2)C=CC1
InChIInChI=1S/C10H14N6/c1-6-3-2-4-7(6)5-13-10-15-8(11)14-9(12)16-10/h2,4H,3,5H2,1H3,(H5,11,12,13,14,15,16)
InChIKeyYQXZOCMSJOXWEI-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.72
Rot. Bonds3

About 2-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine

2-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 157128089) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID157128089
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name2-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCC1=C(CNc2nc(N)nc(N)n2)C=CC1
InChIInChI=1S/C10H14N6/c1-6-3-2-4-7(6)5-13-10-15-8(11)14-9(12)16-10/h2,4H,3,5H2,1H3,(H5,11,12,13,14,15,16)
InChIKeyYQXZOCMSJOXWEI-UHFFFAOYSA-N
XLogP0.72
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-[1-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 141901216
6-chloro-2-N-[(2E)-2-methylpenta-2,4-dienyl]-1,3,5-triazine-2,4-diamine
CID 90175549
6-chloro-4-N-methyl-2-N-(2-methylpenta-2,4-dienyl)-1,3,5-triazine-2,4-diamine
CID 123599189
2-N-[1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 141901223
6-chloro-4-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 144402256
2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine
CID 146321122
[4-Amino-6-(pent-4-enylamino)-1,3,5-triazin-2-yl]-pent-2-enylazanium
CID 164021735
2-N-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 176266244
2-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 157128088
2-N-methyl-2-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 157128090
2-N-methyl-2-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 157128091
2-N,2-N-dimethyl-4-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 157128092

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 157128089) is 2-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine is CC1=C(CNc2nc(N)nc(N)n2)C=CC1.
What is the InChIKey of 2-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is YQXZOCMSJOXWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-6-3-2-4-7(6)5-13-10-15-8(11)14-9(12)16-10/h2,4H,3,5H2,1H3,(H5,11,12,13,14,15,16).
What are the key properties of 2-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 218.26 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 157128089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).