1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide

C8H13N7O2 — CID 80597791

IUPAC1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(C(N)=NO)CC1)c1nn[nH]n1
InChIInChI=1S/C8H13N7O2/c1-4(5-11-14-15-12-5)10-7(16)8(2-3-8)6(9)13-17/h4,17H,2-3H2,1H3,(H2,9,13)(H,10,16)(H,11,12,14,15)
InChIKeyBHWRAILEBPEIEX-UHFFFAOYSA-N
MW239.24 g/mol
LogP-1.10
Rot. Bonds4

About 1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 80597791) has the molecular formula C8H13N7O2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID80597791
Molecular FormulaC8H13N7O2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(C(N)=NO)CC1)c1nn[nH]n1
InChIInChI=1S/C8H13N7O2/c1-4(5-11-14-15-12-5)10-7(16)8(2-3-8)6(9)13-17/h4,17H,2-3H2,1H3,(H2,9,13)(H,10,16)(H,11,12,14,15)
InChIKeyBHWRAILEBPEIEX-UHFFFAOYSA-N
XLogP-1.10
TPSA142.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide (CID 80597791) is 1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide is CC(NC(=O)C1(C(N)=NO)CC1)c1nn[nH]n1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is BHWRAILEBPEIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7O2/c1-4(5-11-14-15-12-5)10-7(16)8(2-3-8)6(9)13-17/h4,17H,2-3H2,1H3,(H2,9,13)(H,10,16)(H,11,12,14,15).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 239.24 g/mol, XLogP of -1.10, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 80597791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).