3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanimidamide

C11H15N7O — CID 66283468

IUPAC3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1cc2n[nH]c(=O)n2cn1)C1CC1
InChIInChI=1S/C11H15N7O/c12-8(13)3-4-17(7-1-2-7)9-5-10-15-16-11(19)18(10)6-14-9/h5-7H,1-4H2,(H3,12,13)(H,16,19)
InChIKeySMIIDWOPXGIYFD-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.29
Rot. Bonds5

About 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanimidamide

3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanimidamide (PubChem CID 66283468) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanimidamide
PubChem CID66283468
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1cc2n[nH]c(=O)n2cn1)C1CC1
InChIInChI=1S/C11H15N7O/c12-8(13)3-4-17(7-1-2-7)9-5-10-15-16-11(19)18(10)6-14-9/h5-7H,1-4H2,(H3,12,13)(H,16,19)
InChIKeySMIIDWOPXGIYFD-UHFFFAOYSA-N
XLogP-0.29
TPSA116.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanimidamide?
The IUPAC name of 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanimidamide (CID 66283468) is 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanimidamide?
The canonical SMILES for 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanimidamide is [H]/N=C(\N)CCN(c1cc2n[nH]c(=O)n2cn1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanimidamide?
The InChIKey is SMIIDWOPXGIYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c12-8(13)3-4-17(7-1-2-7)9-5-10-15-16-11(19)18(10)6-14-9/h5-7H,1-4H2,(H3,12,13)(H,16,19).
What are the key properties of 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanimidamide?
3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanimidamide has a molecular weight of 261.29 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanimidamide is sourced from PubChem (CID 66283468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).