N'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide

C11H15N5O2 — CID 51117816

IUPACN'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide
SMILESO=C(CCNc1ncccn1)NNC(=O)C1CC1
InChIInChI=1S/C11H15N5O2/c17-9(15-16-10(18)8-2-3-8)4-7-14-11-12-5-1-6-13-11/h1,5-6,8H,2-4,7H2,(H,15,17)(H,16,18)(H,12,13,14)
InChIKeyINYBUFIRMYWGDT-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.16
Rot. Bonds5

About N'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide

N'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide (PubChem CID 51117816) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide
PubChem CID51117816
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide
SMILESO=C(CCNc1ncccn1)NNC(=O)C1CC1
InChIInChI=1S/C11H15N5O2/c17-9(15-16-10(18)8-2-3-8)4-7-14-11-12-5-1-6-13-11/h1,5-6,8H,2-4,7H2,(H,15,17)(H,16,18)(H,12,13,14)
InChIKeyINYBUFIRMYWGDT-UHFFFAOYSA-N
XLogP-0.16
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide?
The IUPAC name of N'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide (CID 51117816) is N'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide.
What is the SMILES notation for N'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide?
The canonical SMILES for N'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide is O=C(CCNc1ncccn1)NNC(=O)C1CC1.
What is the InChIKey of N'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide?
The InChIKey is INYBUFIRMYWGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c17-9(15-16-10(18)8-2-3-8)4-7-14-11-12-5-1-6-13-11/h1,5-6,8H,2-4,7H2,(H,15,17)(H,16,18)(H,12,13,14).
What are the key properties of N'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide?
N'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide has a molecular weight of 249.27 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide is sourced from PubChem (CID 51117816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).