2-(cyclopropylmethoxymethyl)triazol-4-amine

C7H12N4O — CID 165472803

IUPAC2-(cyclopropylmethoxymethyl)triazol-4-amine
SMILESNc1cnn(COCC2CC2)n1
InChIInChI=1S/C7H12N4O/c8-7-3-9-11(10-7)5-12-4-6-1-2-6/h3,6H,1-2,4-5H2,(H2,8,10)
InChIKeyQSAQFXDDPFEISR-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.24
Rot. Bonds4

About 2-(cyclopropylmethoxymethyl)triazol-4-amine

2-(cyclopropylmethoxymethyl)triazol-4-amine (PubChem CID 165472803) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethyl)triazol-4-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethyl)triazol-4-amine
PubChem CID165472803
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-(cyclopropylmethoxymethyl)triazol-4-amine
SMILESNc1cnn(COCC2CC2)n1
InChIInChI=1S/C7H12N4O/c8-7-3-9-11(10-7)5-12-4-6-1-2-6/h3,6H,1-2,4-5H2,(H2,8,10)
InChIKeyQSAQFXDDPFEISR-UHFFFAOYSA-N
XLogP0.24
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclohexyloxymethyl)triazol-4-amine
CID 165473073
2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine
CID 165479364
3-[1-(cyclopropylmethoxymethyl)-1,2,4-triazol-3-yl]aniline
CID 106929503
5-(cyclopropylmethoxymethyl)pyrazin-2-amine
CID 103058587
2-[2-(1,1-dioxothiolan-3-yl)ethyl]triazol-4-amine
CID 165480315
2-(2,2-difluoroethyl)triazol-4-amine
CID 146075351
2-[1-(cyclopropylmethoxymethyl)imidazol-4-yl]ethanamine
CID 106931049
methyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate
CID 107344491
4-(cyclopropylmethoxymethoxy)-1-methylpyrazole
CID 106931222
1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine
CID 114248067
2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine
CID 165471829
2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine
CID 67958100

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxymethyl)triazol-4-amine?
The IUPAC name of 2-(cyclopropylmethoxymethyl)triazol-4-amine (CID 165472803) is 2-(cyclopropylmethoxymethyl)triazol-4-amine.
What is the SMILES notation for 2-(cyclopropylmethoxymethyl)triazol-4-amine?
The canonical SMILES for 2-(cyclopropylmethoxymethyl)triazol-4-amine is Nc1cnn(COCC2CC2)n1.
What is the InChIKey of 2-(cyclopropylmethoxymethyl)triazol-4-amine?
The InChIKey is QSAQFXDDPFEISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-7-3-9-11(10-7)5-12-4-6-1-2-6/h3,6H,1-2,4-5H2,(H2,8,10).
What are the key properties of 2-(cyclopropylmethoxymethyl)triazol-4-amine?
2-(cyclopropylmethoxymethyl)triazol-4-amine has a molecular weight of 168.20 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethyl)triazol-4-amine is sourced from PubChem (CID 165472803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).