N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine

C12H22N4 — CID 43703015

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
SMILESCC(NC1CCCCCC1)c1nncn1C
InChIInChI=1S/C12H22N4/c1-10(12-15-13-9-16(12)2)14-11-7-5-3-4-6-8-11/h9-11,14H,3-8H2,1-2H3
InChIKeyJUQUHSJRHPAVSC-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.19
Rot. Bonds3

About N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine (PubChem CID 43703015) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
PubChem CID43703015
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
SMILESCC(NC1CCCCCC1)c1nncn1C
InChIInChI=1S/C12H22N4/c1-10(12-15-13-9-16(12)2)14-11-7-5-3-4-6-8-11/h9-11,14H,3-8H2,1-2H3
InChIKeyJUQUHSJRHPAVSC-UHFFFAOYSA-N
XLogP2.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine
CID 79458750
8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43703170
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine
CID 130683482
trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol
CID 102731179
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine
CID 79541672
N-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 62415302
2,4,4-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine
CID 106661974
tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate
CID 80559631
1-(cyclopentanecarbonyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
CID 72878892
1-(azepan-1-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanone
CID 62118099
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43703199
2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
CID 62364865

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine (CID 43703015) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine is CC(NC1CCCCCC1)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine?
The InChIKey is JUQUHSJRHPAVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(12-15-13-9-16(12)2)14-11-7-5-3-4-6-8-11/h9-11,14H,3-8H2,1-2H3.
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine has a molecular weight of 222.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 43703015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).