5-chloro-2-N-cyclopropylpyridine-2,3,4-triamine

C8H11ClN4 — CID 91239284

IUPAC5-chloro-2-N-cyclopropylpyridine-2,3,4-triamine
SMILESNc1c(Cl)cnc(NC2CC2)c1N
InChIInChI=1S/C8H11ClN4/c9-5-3-12-8(7(11)6(5)10)13-4-1-2-4/h3-4H,1-2,11H2,(H3,10,12,13)
InChIKeyJGYHUMYNISTHBO-UHFFFAOYSA-N
MW198.66 g/mol
LogP1.47
Rot. Bonds2

About 5-chloro-2-N-cyclopropylpyridine-2,3,4-triamine

5-chloro-2-N-cyclopropylpyridine-2,3,4-triamine (PubChem CID 91239284) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is 5-chloro-2-N-cyclopropylpyridine-2,3,4-triamine.

Molecular Properties

Compound Name5-chloro-2-N-cyclopropylpyridine-2,3,4-triamine
PubChem CID91239284
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name5-chloro-2-N-cyclopropylpyridine-2,3,4-triamine
SMILESNc1c(Cl)cnc(NC2CC2)c1N
InChIInChI=1S/C8H11ClN4/c9-5-3-12-8(7(11)6(5)10)13-4-1-2-4/h3-4H,1-2,11H2,(H3,10,12,13)
InChIKeyJGYHUMYNISTHBO-UHFFFAOYSA-N
XLogP1.47
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
5-chloro-2-N-cyclopentylpyridine-2,3-diamine
CID 58171612
3,5-dichloro-N-cyclooctylpyridin-2-amine
CID 28517961
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine
CID 55143310
4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19149855
4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19149860
4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine
CID 66799509
6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135719
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135885
6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
CID 22545486
4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine
CID 22540380

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-cyclopropylpyridine-2,3,4-triamine?
The IUPAC name of 5-chloro-2-N-cyclopropylpyridine-2,3,4-triamine (CID 91239284) is 5-chloro-2-N-cyclopropylpyridine-2,3,4-triamine.
What is the SMILES notation for 5-chloro-2-N-cyclopropylpyridine-2,3,4-triamine?
The canonical SMILES for 5-chloro-2-N-cyclopropylpyridine-2,3,4-triamine is Nc1c(Cl)cnc(NC2CC2)c1N.
What is the InChIKey of 5-chloro-2-N-cyclopropylpyridine-2,3,4-triamine?
The InChIKey is JGYHUMYNISTHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4/c9-5-3-12-8(7(11)6(5)10)13-4-1-2-4/h3-4H,1-2,11H2,(H3,10,12,13).
What are the key properties of 5-chloro-2-N-cyclopropylpyridine-2,3,4-triamine?
5-chloro-2-N-cyclopropylpyridine-2,3,4-triamine has a molecular weight of 198.66 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-cyclopropylpyridine-2,3,4-triamine is sourced from PubChem (CID 91239284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).