[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine

C13H25N5 — CID 82211136

IUPAC[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
SMILESCC(C)Cc1c(CN)nnn1CCN1CCCC1
InChIInChI=1S/C13H25N5/c1-11(2)9-13-12(10-14)15-16-18(13)8-7-17-5-3-4-6-17/h11H,3-10,14H2,1-2H3
InChIKeyHRYIYVPGCXCFCQ-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.03
Rot. Bonds6

About [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine

[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine (PubChem CID 82211136) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
PubChem CID82211136
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
SMILESCC(C)Cc1c(CN)nnn1CCN1CCCC1
InChIInChI=1S/C13H25N5/c1-11(2)9-13-12(10-14)15-16-18(13)8-7-17-5-3-4-6-17/h11H,3-10,14H2,1-2H3
InChIKeyHRYIYVPGCXCFCQ-UHFFFAOYSA-N
XLogP1.03
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol
CID 82211038
ethyl 5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxylate
CID 103108488
2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile
CID 82206632
[5-(2-methylpropyl)-1-(4-phenoxybutyl)triazol-4-yl]methanamine
CID 82209707
1-butyl-5-(2-methylpropyl)-4-propyltriazole
CID 69382483
[1-[(3,4-dichlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanamine
CID 94943700
2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate
CID 103112836
[5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 82211157
5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine
CID 79547920
[5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine
CID 82221732
3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol
CID 82211180
5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 82211172

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine?
The IUPAC name of [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine (CID 82211136) is [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine is CC(C)Cc1c(CN)nnn1CCN1CCCC1.
What is the InChIKey of [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine?
The InChIKey is HRYIYVPGCXCFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-11(2)9-13-12(10-14)15-16-18(13)8-7-17-5-3-4-6-17/h11H,3-10,14H2,1-2H3.
What are the key properties of [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine?
[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine has a molecular weight of 251.38 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82211136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).