1-N-methyl-4-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexane-1,4-diamine

C14H21N5 — CID 79110724

IUPAC1-N-methyl-4-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2cc(C)cc3ncnn23)CC1
InChIInChI=1S/C14H21N5/c1-10-7-13-16-9-17-19(13)14(8-10)18-12-5-3-11(15-2)4-6-12/h7-9,11-12,15,18H,3-6H2,1-2H3
InChIKeyHXZRWOYRVWZEAM-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.98
Rot. Bonds3

About 1-N-methyl-4-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexane-1,4-diamine

1-N-methyl-4-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexane-1,4-diamine (PubChem CID 79110724) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-N-methyl-4-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexane-1,4-diamine
PubChem CID79110724
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-N-methyl-4-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2cc(C)cc3ncnn23)CC1
InChIInChI=1S/C14H21N5/c1-10-7-13-16-9-17-19(13)14(8-10)18-12-5-3-11(15-2)4-6-12/h7-9,11-12,15,18H,3-6H2,1-2H3
InChIKeyHXZRWOYRVWZEAM-UHFFFAOYSA-N
XLogP1.98
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexane-1,4-diamine (CID 79110724) is 1-N-methyl-4-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexane-1,4-diamine is CNC1CCC(Nc2cc(C)cc3ncnn23)CC1.
What is the InChIKey of 1-N-methyl-4-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexane-1,4-diamine?
The InChIKey is HXZRWOYRVWZEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10-7-13-16-9-17-19(13)14(8-10)18-12-5-3-11(15-2)4-6-12/h7-9,11-12,15,18H,3-6H2,1-2H3.
What are the key properties of 1-N-methyl-4-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexane-1,4-diamine?
1-N-methyl-4-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexane-1,4-diamine has a molecular weight of 259.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79110724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).