2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide

C14H19N5O — CID 82201985

IUPAC2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)n1nnc(CN)c1C
InChIInChI=1S/C14H19N5O/c1-9-6-4-5-7-12(9)16-14(20)11(3)19-10(2)13(8-15)17-18-19/h4-7,11H,8,15H2,1-3H3,(H,16,20)
InChIKeyRMOJNEOPWDJPHF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.55
Rot. Bonds4

About 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide

2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide (PubChem CID 82201985) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide
PubChem CID82201985
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)n1nnc(CN)c1C
InChIInChI=1S/C14H19N5O/c1-9-6-4-5-7-12(9)16-14(20)11(3)19-10(2)13(8-15)17-18-19/h4-7,11H,8,15H2,1-3H3,(H,16,20)
InChIKeyRMOJNEOPWDJPHF-UHFFFAOYSA-N
XLogP1.55
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735308
2-(4-cyano-5-methyltriazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 82202032
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide
CID 82201974
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
(2S)-N-(2-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)propanamide
CID 7540909
3-(ethylamino)-2-methyl-N-(2-methylphenyl)propanamide
CID 45097653
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
(2-methylphenyl)urea;phosphane
CID 175888509

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide (CID 82201985) is 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)C(C)n1nnc(CN)c1C.
What is the InChIKey of 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide?
The InChIKey is RMOJNEOPWDJPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-6-4-5-7-12(9)16-14(20)11(3)19-10(2)13(8-15)17-18-19/h4-7,11H,8,15H2,1-3H3,(H,16,20).
What are the key properties of 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide?
2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 82201985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).