3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide

C12H15N5O2 — CID 62794179

IUPAC3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1ccc(CN(C(=O)c2nc(N)n[nH]2)C2CC2)o1
InChIInChI=1S/C12H15N5O2/c1-7-2-5-9(19-7)6-17(8-3-4-8)11(18)10-14-12(13)16-15-10/h2,5,8H,3-4,6H2,1H3,(H3,13,14,15,16)
InChIKeyTWUOQCOUXASOEP-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.09
Rot. Bonds4

About 3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62794179) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62794179
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1ccc(CN(C(=O)c2nc(N)n[nH]2)C2CC2)o1
InChIInChI=1S/C12H15N5O2/c1-7-2-5-9(19-7)6-17(8-3-4-8)11(18)10-14-12(13)16-15-10/h2,5,8H,3-4,6H2,1H3,(H3,13,14,15,16)
InChIKeyTWUOQCOUXASOEP-UHFFFAOYSA-N
XLogP1.09
TPSA101.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62793672
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794697
3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 61108342
3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115097
6-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]pyrazine-2-carboxamide
CID 106551139
2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 62797846
N-cyclopropyl-2-methoxy-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60793853
N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60794855
2-bromo-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 114328211
3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 55104325
2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide
CID 54871939
3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60949956

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide (CID 62794179) is 3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide is Cc1ccc(CN(C(=O)c2nc(N)n[nH]2)C2CC2)o1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is TWUOQCOUXASOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-2-5-9(19-7)6-17(8-3-4-8)11(18)10-14-12(13)16-15-10/h2,5,8H,3-4,6H2,1H3,(H3,13,14,15,16).
What are the key properties of 3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62794179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).