1-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclopropane-1-carboxamide

C11H15N5O2 — CID 80597501

IUPAC1-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cnc(CNC(=O)C2(C(N)=NO)CC2)cn1
InChIInChI=1S/C11H15N5O2/c1-7-4-14-8(5-13-7)6-15-10(17)11(2-3-11)9(12)16-18/h4-5,18H,2-3,6H2,1H3,(H2,12,16)(H,15,17)
InChIKeyQKZLFFNFFQWBKB-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.07
Rot. Bonds4

About 1-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclopropane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 80597501) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID80597501
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cnc(CNC(=O)C2(C(N)=NO)CC2)cn1
InChIInChI=1S/C11H15N5O2/c1-7-4-14-8(5-13-7)6-15-10(17)11(2-3-11)9(12)16-18/h4-5,18H,2-3,6H2,1H3,(H2,12,16)(H,15,17)
InChIKeyQKZLFFNFFQWBKB-UHFFFAOYSA-N
XLogP-0.07
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 80596720
1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 76980113
(5-methylpyrazin-2-yl)methylurea
CID 62845946
(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 55122485
1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 76921358
1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide
CID 62845577
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 76950592
1-(N'-hydroxycarbamimidoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 76921463
1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide
CID 80597504
1-(N'-hydroxycarbamimidoyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide
CID 76993739
1-(N'-hydroxycarbamimidoyl)-N-(1H-imidazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 80594149
1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide
CID 80596873

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclopropane-1-carboxamide (CID 80597501) is 1-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclopropane-1-carboxamide is Cc1cnc(CNC(=O)C2(C(N)=NO)CC2)cn1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is QKZLFFNFFQWBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-7-4-14-8(5-13-7)6-15-10(17)11(2-3-11)9(12)16-18/h4-5,18H,2-3,6H2,1H3,(H2,12,16)(H,15,17).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclopropane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 249.27 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 80597501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).