1-[5-(1-benzylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine

C19H27N5 — CID 143046728

IUPAC1-[5-(1-benzylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2nnc(C3(Cc4ccccc4)CC3)n2C)CC1
InChIInChI=1S/C19H27N5/c1-20-16-8-12-24(13-9-16)18-22-21-17(23(18)2)19(10-11-19)14-15-6-4-3-5-7-15/h3-7,16,20H,8-14H2,1-2H3
InChIKeyCKNAQLVVSKBCMH-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.28
Rot. Bonds5

About 1-[5-(1-benzylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine

1-[5-(1-benzylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine (PubChem CID 143046728) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[5-(1-benzylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-(1-benzylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
PubChem CID143046728
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name1-[5-(1-benzylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2nnc(C3(Cc4ccccc4)CC3)n2C)CC1
InChIInChI=1S/C19H27N5/c1-20-16-8-12-24(13-9-16)18-22-21-17(23(18)2)19(10-11-19)14-15-6-4-3-5-7-15/h3-7,16,20H,8-14H2,1-2H3
InChIKeyCKNAQLVVSKBCMH-UHFFFAOYSA-N
XLogP2.28
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine
CID 59216048
1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine
CID 59216145
(1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119563003
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
3-benzyl-N,3-dimethylcyclopentan-1-amine
CID 116538980
N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine
CID 54923632
2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole
CID 59216233
1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 120839732
1-(3-ethylphenyl)-N-methylpiperidin-4-amine
CID 43315435
5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine
CID 58227400
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
N-methyl-1-(2-phenoxyphenyl)piperidin-4-amine
CID 43315200

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-benzylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[5-(1-benzylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine (CID 143046728) is 1-[5-(1-benzylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[5-(1-benzylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[5-(1-benzylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine is CNC1CCN(c2nnc(C3(Cc4ccccc4)CC3)n2C)CC1.
What is the InChIKey of 1-[5-(1-benzylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
The InChIKey is CKNAQLVVSKBCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-20-16-8-12-24(13-9-16)18-22-21-17(23(18)2)19(10-11-19)14-15-6-4-3-5-7-15/h3-7,16,20H,8-14H2,1-2H3.
What are the key properties of 1-[5-(1-benzylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
1-[5-(1-benzylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine has a molecular weight of 325.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-benzylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 143046728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).