N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine

C13H13N5 — CID 103883776

IUPACN-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine
SMILESCn1cnc(CNc2ccc3ccccc3n2)n1
InChIInChI=1S/C13H13N5/c1-18-9-15-13(17-18)8-14-12-7-6-10-4-2-3-5-11(10)16-12/h2-7,9H,8H2,1H3,(H,14,16)
InChIKeyLHXROYIDGUAAHJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.98
Rot. Bonds3

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

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine (PubChem CID 103883776) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine
PubChem CID103883776
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine
SMILESCn1cnc(CNc2ccc3ccccc3n2)n1
InChIInChI=1S/C13H13N5/c1-18-9-15-13(17-18)8-14-12-7-6-10-4-2-3-5-11(10)16-12/h2-7,9H,8H2,1H3,(H,14,16)
InChIKeyLHXROYIDGUAAHJ-UHFFFAOYSA-N
XLogP1.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine
CID 103884429
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine
CID 113243841
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine
CID 103883678
2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine
CID 133452088
N',N'-diethyl-N-quinolin-2-ylethane-1,2-diamine
CID 29034391
N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide
CID 103883730
2-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenol
CID 103884596
6-methoxy-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 114125987
N-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine
CID 65244096
N-[2-(2-methylpyrazol-3-yl)ethyl]quinolin-2-amine
CID 104696047
N-dodecylquinolin-2-amine
CID 160510159
1-N-quinolin-2-ylbutane-1,3-diamine
CID 63251635

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine?
The IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine (CID 103883776) is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine.
What is the SMILES notation for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine?
The canonical SMILES for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine is Cn1cnc(CNc2ccc3ccccc3n2)n1.
What is the InChIKey of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine?
The InChIKey is LHXROYIDGUAAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18-9-15-13(17-18)8-14-12-7-6-10-4-2-3-5-11(10)16-12/h2-7,9H,8H2,1H3,(H,14,16).
What are the key properties of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine?
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine has a molecular weight of 239.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine is sourced from PubChem (CID 103883776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).