N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine

C16H17N5 — CID 66194383

IUPACN-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
SMILESc1ccc2nc(Cn3cc(CNC4CC4)nn3)ccc2c1
InChIInChI=1S/C16H17N5/c1-2-4-16-12(3-1)5-6-14(18-16)10-21-11-15(19-20-21)9-17-13-7-8-13/h1-6,11,13,17H,7-10H2
InChIKeyWZWDQCOGOVQXQN-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.13
Rot. Bonds5

About N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine

N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66194383) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
PubChem CID66194383
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
SMILESc1ccc2nc(Cn3cc(CNC4CC4)nn3)ccc2c1
InChIInChI=1S/C16H17N5/c1-2-4-16-12(3-1)5-6-14(18-16)10-21-11-15(19-20-21)9-17-13-7-8-13/h1-6,11,13,17H,7-10H2
InChIKeyWZWDQCOGOVQXQN-UHFFFAOYSA-N
XLogP2.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410
N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 66193959
N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66191856
[1-(quinolin-2-ylmethyl)triazol-4-yl]methanol
CID 56594560
2-[[4-[4-[1-(quinolin-2-ylmethyl)triazol-4-yl]butyl]triazol-1-yl]methyl]quinoline
CID 102300514
2-[[4-(2-chloroethyl)triazol-1-yl]methyl]quinoline
CID 62401191
N-(quinolin-2-ylmethyl)cyclohexanamine
CID 28774764
2-[1-(quinolin-2-ylmethyl)triazol-4-yl]acetic acid
CID 107461815
N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66191658
N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192447
N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194177
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193207

Frequently Asked Questions

What is the IUPAC name of N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine (CID 66194383) is N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine is c1ccc2nc(Cn3cc(CNC4CC4)nn3)ccc2c1.
What is the InChIKey of N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is WZWDQCOGOVQXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-4-16-12(3-1)5-6-14(18-16)10-21-11-15(19-20-21)9-17-13-7-8-13/h1-6,11,13,17H,7-10H2.
What are the key properties of N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine?
N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 279.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66194383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).