4-cyclobutyl-N-cyclopropyl-5-(methylaminomethyl)-1,2,4-triazol-3-amine

C11H19N5 — CID 83890248

IUPAC4-cyclobutyl-N-cyclopropyl-5-(methylaminomethyl)-1,2,4-triazol-3-amine
SMILESCNCc1nnc(NC2CC2)n1C1CCC1
InChIInChI=1S/C11H19N5/c1-12-7-10-14-15-11(13-8-5-6-8)16(10)9-3-2-4-9/h8-9,12H,2-7H2,1H3,(H,13,15)
InChIKeySERJFBKHLJILHN-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.30
Rot. Bonds5

About 4-cyclobutyl-N-cyclopropyl-5-(methylaminomethyl)-1,2,4-triazol-3-amine

4-cyclobutyl-N-cyclopropyl-5-(methylaminomethyl)-1,2,4-triazol-3-amine (PubChem CID 83890248) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-cyclobutyl-N-cyclopropyl-5-(methylaminomethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-cyclobutyl-N-cyclopropyl-5-(methylaminomethyl)-1,2,4-triazol-3-amine
PubChem CID83890248
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-cyclobutyl-N-cyclopropyl-5-(methylaminomethyl)-1,2,4-triazol-3-amine
SMILESCNCc1nnc(NC2CC2)n1C1CCC1
InChIInChI=1S/C11H19N5/c1-12-7-10-14-15-11(13-8-5-6-8)16(10)9-3-2-4-9/h8-9,12H,2-7H2,1H3,(H,13,15)
InChIKeySERJFBKHLJILHN-UHFFFAOYSA-N
XLogP1.30
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride
CID 71758273
[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl](methyl)amine
CID 56828111
3-[(4-Cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea
CID 86801824
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 79266674
5-(aminomethyl)-N-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine
CID 83896411
5-(aminomethyl)-N-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine
CID 83897507
1-Butyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109859096
1-Butyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109859097
1-Cyclopentyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(3-fluoropropyl)guanidine
CID 109863017
1-Butyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(3-fluoropropyl)guanidine
CID 109863019
1-Cyclohexyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(3-fluoropropyl)guanidine
CID 109863021
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 115715336

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-N-cyclopropyl-5-(methylaminomethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 4-cyclobutyl-N-cyclopropyl-5-(methylaminomethyl)-1,2,4-triazol-3-amine (CID 83890248) is 4-cyclobutyl-N-cyclopropyl-5-(methylaminomethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-cyclobutyl-N-cyclopropyl-5-(methylaminomethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 4-cyclobutyl-N-cyclopropyl-5-(methylaminomethyl)-1,2,4-triazol-3-amine is CNCc1nnc(NC2CC2)n1C1CCC1.
What is the InChIKey of 4-cyclobutyl-N-cyclopropyl-5-(methylaminomethyl)-1,2,4-triazol-3-amine?
The InChIKey is SERJFBKHLJILHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-12-7-10-14-15-11(13-8-5-6-8)16(10)9-3-2-4-9/h8-9,12H,2-7H2,1H3,(H,13,15).
What are the key properties of 4-cyclobutyl-N-cyclopropyl-5-(methylaminomethyl)-1,2,4-triazol-3-amine?
4-cyclobutyl-N-cyclopropyl-5-(methylaminomethyl)-1,2,4-triazol-3-amine has a molecular weight of 221.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-N-cyclopropyl-5-(methylaminomethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 83890248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).