3-[3-(2,2-dimethylcyclopropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine

C10H18N4 — CID 107925887

IUPAC3-[3-(2,2-dimethylcyclopropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine
SMILESCC1(C)CC1c1n[nH]c(CCCN)n1
InChIInChI=1S/C10H18N4/c1-10(2)6-7(10)9-12-8(13-14-9)4-3-5-11/h7H,3-6,11H2,1-2H3,(H,12,13,14)
InChIKeyPIADNAORDYIMRU-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.21
Rot. Bonds4

About 3-[3-(2,2-dimethylcyclopropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine

3-[3-(2,2-dimethylcyclopropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine (PubChem CID 107925887) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[3-(2,2-dimethylcyclopropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2,2-dimethylcyclopropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine
PubChem CID107925887
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-[3-(2,2-dimethylcyclopropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine
SMILESCC1(C)CC1c1n[nH]c(CCCN)n1
InChIInChI=1S/C10H18N4/c1-10(2)6-7(10)9-12-8(13-14-9)4-3-5-11/h7H,3-6,11H2,1-2H3,(H,12,13,14)
InChIKeyPIADNAORDYIMRU-UHFFFAOYSA-N
XLogP1.21
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dimethylcyclopropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine?
The IUPAC name of 3-[3-(2,2-dimethylcyclopropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine (CID 107925887) is 3-[3-(2,2-dimethylcyclopropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(2,2-dimethylcyclopropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[3-(2,2-dimethylcyclopropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine is CC1(C)CC1c1n[nH]c(CCCN)n1.
What is the InChIKey of 3-[3-(2,2-dimethylcyclopropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine?
The InChIKey is PIADNAORDYIMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(2)6-7(10)9-12-8(13-14-9)4-3-5-11/h7H,3-6,11H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[3-(2,2-dimethylcyclopropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine?
3-[3-(2,2-dimethylcyclopropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dimethylcyclopropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine is sourced from PubChem (CID 107925887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).