N-[2-(aminomethyl)cyclopentyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide

C20H29N5O2 — CID 119605319

IUPACN-[2-(aminomethyl)cyclopentyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCCC2CN)nnn1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H29N5O2/c1-4-18-19(20(26)22-17-7-5-6-14(17)12-21)23-24-25(18)15-8-10-16(11-9-15)27-13(2)3/h8-11,13-14,17H,4-7,12,21H2,1-3H3,(H,22,26)
InChIKeyHWEMXSXLWGHUDV-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.47
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide

N-[2-(aminomethyl)cyclopentyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide (PubChem CID 119605319) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
PubChem CID119605319
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCCC2CN)nnn1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H29N5O2/c1-4-18-19(20(26)22-17-7-5-6-14(17)12-21)23-24-25(18)15-8-10-16(11-9-15)27-13(2)3/h8-11,13-14,17H,4-7,12,21H2,1-3H3,(H,22,26)
InChIKeyHWEMXSXLWGHUDV-UHFFFAOYSA-N
XLogP2.47
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 119390482
5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 120554105
N-cyclohexyl-1-[4-(difluoromethoxy)phenyl]-5-ethyltriazole-4-carboxamide
CID 16654299
5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 120947162
N-(1-aminohexan-2-yl)-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 119668831
(4-aminopiperidin-1-yl)-[5-ethyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride
CID 119376951
N-[2-(4-aminophenyl)ethyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119549755
N-[2-(aminomethyl)cyclopentyl]-3-propan-2-yloxypyridine-2-carboxamide
CID 119603508
N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide
CID 119603536
[2-(aminomethyl)pyrrolidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride
CID 119632254
2-[[5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]-methylamino]acetic acid
CID 119346326
[5-ethyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119542458

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide (CID 119605319) is N-[2-(aminomethyl)cyclopentyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide is CCc1c(C(=O)NC2CCCC2CN)nnn1-c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide?
The InChIKey is HWEMXSXLWGHUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-4-18-19(20(26)22-17-7-5-6-14(17)12-21)23-24-25(18)15-8-10-16(11-9-15)27-13(2)3/h8-11,13-14,17H,4-7,12,21H2,1-3H3,(H,22,26).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 119605319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).