7-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine

C14H17N7 — CID 131931092

IUPAC7-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine
SMILESCc1cccnc1CC(C)Nc1cc2nncn2c(N)n1
InChIInChI=1S/C14H17N7/c1-9-4-3-5-16-11(9)6-10(2)18-12-7-13-20-17-8-21(13)14(15)19-12/h3-5,7-8,10,18H,6H2,1-2H3,(H2,15,19)
InChIKeySHTXBHODRUYBDT-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.45
Rot. Bonds4

About 7-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine

7-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine (PubChem CID 131931092) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 7-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name7-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine
PubChem CID131931092
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name7-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine
SMILESCc1cccnc1CC(C)Nc1cc2nncn2c(N)n1
InChIInChI=1S/C14H17N7/c1-9-4-3-5-16-11(9)6-10(2)18-12-7-13-20-17-8-21(13)14(15)19-12/h3-5,7-8,10,18H,6H2,1-2H3,(H2,15,19)
InChIKeySHTXBHODRUYBDT-UHFFFAOYSA-N
XLogP1.45
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine with MolForge

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Related Compounds

3-methyl-2-[2-(1,2,4-triazol-4-yl)propyl]pyridine
CID 50957417
6-tert-butyl-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56902389
3-methyl-2-[(2S)-2-(2-methylphenyl)propyl]pyridine
CID 165410451
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]thian-4-amine
CID 56715283
N,3-diethyl-1-(3-methyl-2-pyridinyl)pentan-2-amine
CID 66446885
6-(methoxymethyl)-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95710155
6-(methoxymethyl)-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56886094
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-3-pyrazol-1-ylbenzamide
CID 56743823
6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 78942063
N,5-dimethyl-1-(3-methyl-2-pyridinyl)hexan-2-amine
CID 66446876
1-[2-(dimethylamino)-4-[1-(3-methyl-2-pyridinyl)propan-2-ylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56860946
3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 169410706

Frequently Asked Questions

What is the IUPAC name of 7-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine?
The IUPAC name of 7-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine (CID 131931092) is 7-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine.
What is the SMILES notation for 7-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine?
The canonical SMILES for 7-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine is Cc1cccnc1CC(C)Nc1cc2nncn2c(N)n1.
What is the InChIKey of 7-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine?
The InChIKey is SHTXBHODRUYBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-9-4-3-5-16-11(9)6-10(2)18-12-7-13-20-17-8-21(13)14(15)19-12/h3-5,7-8,10,18H,6H2,1-2H3,(H2,15,19).
What are the key properties of 7-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine?
7-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine has a molecular weight of 283.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine is sourced from PubChem (CID 131931092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).