2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

C11H16N8O — CID 80818031

IUPAC2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCOC1CCCC1Nc1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C11H16N8O/c1-20-8-4-2-3-7(8)15-10-16-9(12)17-11(18-10)19-6-13-5-14-19/h5-8H,2-4H2,1H3,(H3,12,15,16,17,18)
InChIKeyMBVZPRAMYZTRBM-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.01
Rot. Bonds4

About 2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80818031) has the molecular formula C11H16N8O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80818031
Molecular FormulaC11H16N8O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCOC1CCCC1Nc1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C11H16N8O/c1-20-8-4-2-3-7(8)15-10-16-9(12)17-11(18-10)19-6-13-5-14-19/h5-8H,2-4H2,1H3,(H3,12,15,16,17,18)
InChIKeyMBVZPRAMYZTRBM-UHFFFAOYSA-N
XLogP0.01
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80826675
2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80772602
4-N-methyl-2-N-(2-methylcyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80829419
2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80766436
N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80918885
2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80835736
1-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
CID 80835940
2-N-(3-methoxy-2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80816652
2-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80774283
N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80894340
2-N-[2-(dimethylamino)-2-methylpropyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80812261
4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine
CID 80817558

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 80818031) is 2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is COC1CCCC1Nc1nc(N)nc(-n2cncn2)n1.
What is the InChIKey of 2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MBVZPRAMYZTRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8O/c1-20-8-4-2-3-7(8)15-10-16-9(12)17-11(18-10)19-6-13-5-14-19/h5-8H,2-4H2,1H3,(H3,12,15,16,17,18).
What are the key properties of 2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 276.30 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxycyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80818031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).