1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine

C10H14ClN5 — CID 115693317

IUPAC1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
SMILESCn1cc(Cl)cc1CNCc1cnnn1C
InChIInChI=1S/C10H14ClN5/c1-15-7-8(11)3-9(15)4-12-5-10-6-13-14-16(10)2/h3,6-7,12H,4-5H2,1-2H3
InChIKeyOWAYSIGZGYMFFL-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.10
Rot. Bonds4

About 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine

1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine (PubChem CID 115693317) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
PubChem CID115693317
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC Name1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
SMILESCn1cc(Cl)cc1CNCc1cnnn1C
InChIInChI=1S/C10H14ClN5/c1-15-7-8(11)3-9(15)4-12-5-10-6-13-14-16(10)2/h3,6-7,12H,4-5H2,1-2H3
InChIKeyOWAYSIGZGYMFFL-UHFFFAOYSA-N
XLogP1.10
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115693281
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 115693292
N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine
CID 115682087
N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine
CID 115682578
1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 115693290
1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 115682021
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 115693305
3,3-dimethyl-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682257
N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine
CID 115682072
4-bromo-2,6-dichloro-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 113483002
N-[(3-methyltriazol-4-yl)methyl]decan-1-amine
CID 115690037
2-(1-methyl-1,2,4-triazol-3-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115689890

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine (CID 115693317) is 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine is Cn1cc(Cl)cc1CNCc1cnnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine?
The InChIKey is OWAYSIGZGYMFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5/c1-15-7-8(11)3-9(15)4-12-5-10-6-13-14-16(10)2/h3,6-7,12H,4-5H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine?
1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine has a molecular weight of 239.71 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 115693317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).