N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]quinolin-5-amine

C15H15N5 — CID 167987618

IUPACN-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]quinolin-5-amine
SMILESc1cc(Nc2n[nH]c(CC3CC3)n2)c2cccnc2c1
InChIInChI=1S/C15H15N5/c1-4-12-11(3-2-8-16-12)13(5-1)17-15-18-14(19-20-15)9-10-6-7-10/h1-5,8,10H,6-7,9H2,(H2,17,18,19,20)
InChIKeyBOTMFKAUFXLTOB-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.05
Rot. Bonds4

About N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]quinolin-5-amine

N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]quinolin-5-amine (PubChem CID 167987618) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]quinolin-5-amine.

Molecular Properties

Compound NameN-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]quinolin-5-amine
PubChem CID167987618
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]quinolin-5-amine
SMILESc1cc(Nc2n[nH]c(CC3CC3)n2)c2cccnc2c1
InChIInChI=1S/C15H15N5/c1-4-12-11(3-2-8-16-12)13(5-1)17-15-18-14(19-20-15)9-10-6-7-10/h1-5,8,10H,6-7,9H2,(H2,17,18,19,20)
InChIKeyBOTMFKAUFXLTOB-UHFFFAOYSA-N
XLogP3.05
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)quinolin-5-amine
CID 43654866
N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(fluoromethyl)phenyl]quinazolin-4-amine
CID 70839731
N-(1-cyclopropylpropan-2-yl)quinolin-5-amine
CID 115928345
1-N-quinolin-5-ylcyclobutane-1,3-diamine
CID 80559006
N-(piperidin-3-ylmethyl)quinolin-5-amine
CID 80552964
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)quinolin-5-amine
CID 43759306
N-pyridin-2-ylquinolin-5-amine
CID 163837098
4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152871
6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145076
5-(piperidin-3-ylmethyl)quinoline
CID 73439136
N-(3-cyclopropylcyclohexyl)quinolin-5-amine
CID 64595220
N-(3-methylcyclopentyl)quinolin-5-amine
CID 64501004

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]quinolin-5-amine?
The IUPAC name of N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]quinolin-5-amine (CID 167987618) is N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]quinolin-5-amine.
What is the SMILES notation for N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]quinolin-5-amine?
The canonical SMILES for N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]quinolin-5-amine is c1cc(Nc2n[nH]c(CC3CC3)n2)c2cccnc2c1.
What is the InChIKey of N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]quinolin-5-amine?
The InChIKey is BOTMFKAUFXLTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-4-12-11(3-2-8-16-12)13(5-1)17-15-18-14(19-20-15)9-10-6-7-10/h1-5,8,10H,6-7,9H2,(H2,17,18,19,20).
What are the key properties of N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]quinolin-5-amine?
N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]quinolin-5-amine has a molecular weight of 265.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]quinolin-5-amine is sourced from PubChem (CID 167987618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).