7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C9H13N5O — CID 66284455

IUPAC7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC(C)CNc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C9H13N5O/c1-6(2)4-10-7-3-8-12-13-9(15)14(8)5-11-7/h3,5-6,10H,4H2,1-2H3,(H,13,15)
InChIKeyIXKBVVLSFZWFIZ-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.49
Rot. Bonds3

About 7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66284455) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66284455
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC(C)CNc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C9H13N5O/c1-6(2)4-10-7-3-8-12-13-9(15)14(8)5-11-7/h3,5-6,10H,4H2,1-2H3,(H,13,15)
InChIKeyIXKBVVLSFZWFIZ-UHFFFAOYSA-N
XLogP0.49
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(3-hydroxy-2-methylpropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281743
7-(ethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281523
7-(7-methyloctylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 107816333
7-[(1-chloro-4-methylpentan-2-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281581
7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 130504227
7-(1-chloropropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281382
7-(3-methoxypropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281918
N,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide
CID 106339179
7-[2-(4-methylpiperazin-1-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282891
5-methyl-7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281790
7-[(4,5-dimethylthiophen-2-yl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282524
7-(1-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282324

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66284455) is 7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CC(C)CNc1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is IXKBVVLSFZWFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-6(2)4-10-7-3-8-12-13-9(15)14(8)5-11-7/h3,5-6,10H,4H2,1-2H3,(H,13,15).
What are the key properties of 7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 207.24 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66284455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).