1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid

C8H12N4O2 — CID 107044966

IUPAC1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid
SMILESCn1cc(CNC2(C(=O)O)CC2)nn1
InChIInChI=1S/C8H12N4O2/c1-12-5-6(10-11-12)4-9-8(2-3-8)7(13)14/h5,9H,2-4H2,1H3,(H,13,14)
InChIKeyRJONOTPMOCEOQY-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.48
Rot. Bonds4

About 1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid

1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid (PubChem CID 107044966) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid
PubChem CID107044966
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid
SMILESCn1cc(CNC2(C(=O)O)CC2)nn1
InChIInChI=1S/C8H12N4O2/c1-12-5-6(10-11-12)4-9-8(2-3-8)7(13)14/h5,9H,2-4H2,1H3,(H,13,14)
InChIKeyRJONOTPMOCEOQY-UHFFFAOYSA-N
XLogP-0.48
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
CID 115758120
4-methyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107057485
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid
CID 107045011
1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid
CID 107045024
N-methoxy-1-(1-methyltriazol-4-yl)methanamine
CID 82707197
2-[(1-methyltriazol-4-yl)methyl]thiolane-2-carboxylic acid
CID 107057541
3-[(1-methyltriazol-4-yl)methylamino]propanamide
CID 62755404
3-(1-methyltriazol-4-yl)propanoic acid
CID 21284782
2-[1-[(1-methyltriazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid
CID 107052001
N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]acetamide
CID 62757210
1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone
CID 107062385

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid (CID 107044966) is 1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid is Cn1cc(CNC2(C(=O)O)CC2)nn1.
What is the InChIKey of 1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid?
The InChIKey is RJONOTPMOCEOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-12-5-6(10-11-12)4-9-8(2-3-8)7(13)14/h5,9H,2-4H2,1H3,(H,13,14).
What are the key properties of 1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid?
1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 107044966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).