3-[4-cyclopropyl-5-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

C18H32N6 — CID 91775809

IUPAC3-[4-cyclopropyl-5-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCN(CCCN1CCCC1)Cc1nnc(C2CC(N)C2)n1C1CC1
InChIInChI=1S/C18H32N6/c1-22(7-4-10-23-8-2-3-9-23)13-17-20-21-18(14-11-15(19)12-14)24(17)16-5-6-16/h14-16H,2-13,19H2,1H3
InChIKeyDDSUHDGJEVNSBS-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.74
Rot. Bonds8

About 3-[4-cyclopropyl-5-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[4-cyclopropyl-5-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91775809) has the molecular formula C18H32N6 and a molecular weight of 332.50 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-cyclopropyl-5-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91775809
Molecular FormulaC18H32N6
Molecular Weight332.50 g/mol
Exact Mass332.27
IUPAC Name3-[4-cyclopropyl-5-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCN(CCCN1CCCC1)Cc1nnc(C2CC(N)C2)n1C1CC1
InChIInChI=1S/C18H32N6/c1-22(7-4-10-23-8-2-3-9-23)13-17-20-21-18(14-11-15(19)12-14)24(17)16-5-6-16/h14-16H,2-13,19H2,1H3
InChIKeyDDSUHDGJEVNSBS-UHFFFAOYSA-N
XLogP1.74
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-cyclopropyl-5-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine with MolForge

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Related Compounds

2-methyl-1-(5H,6H,7H-pyrrolo(2,1-c)(1,2,4)triazol-3-yl)propan-1-amine
CID 43142798
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-ethylpiperidine
CID 70716296
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-isobutylpiperidine
CID 70720739
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-isopropylpiperidine
CID 70763733
(2-{4-[4-cyclopropyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-1,1-dimethylethyl)amine dihydrochloride
CID 70782280
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-methylpiperidine
CID 70786737
1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 71928247
(5-cyclobutyl-4-methyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride
CID 75480562
[trans-3-(4-methyl-5-{[4-(pyrrolidin-1-ylsulfonyl)-1,4-diazepan-1-yl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutyl]amine
CID 91778496
(cis-3-{4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}cyclobutyl)amine
CID 91770191
cis-3-(4-ethyl-5-{[methyl(2,2,2-trifluoroethyl)amino]methyl}-4H-1,2,4-triazol-3-yl)cyclobutanamine
CID 91780298
(cis-3-{4-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}cyclobutyl)amine
CID 91793433

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-5-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-cyclopropyl-5-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91775809) is 3-[4-cyclopropyl-5-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-cyclopropyl-5-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-cyclopropyl-5-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is CN(CCCN1CCCC1)Cc1nnc(C2CC(N)C2)n1C1CC1.
What is the InChIKey of 3-[4-cyclopropyl-5-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is DDSUHDGJEVNSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6/c1-22(7-4-10-23-8-2-3-9-23)13-17-20-21-18(14-11-15(19)12-14)24(17)16-5-6-16/h14-16H,2-13,19H2,1H3.
What are the key properties of 3-[4-cyclopropyl-5-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[4-cyclopropyl-5-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 332.50 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopropyl-5-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91775809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).