N,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine

C12H15N7 — CID 166260521

IUPACN,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(N(C)Cc2cn[nH]c2)c2cnn(C)c2n1
InChIInChI=1S/C12H15N7/c1-8-16-11(10-6-15-19(3)12(10)17-8)18(2)7-9-4-13-14-5-9/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyKZJVFXQYYSJSOD-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.03
Rot. Bonds3

About N,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine

N,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 166260521) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is N,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID166260521
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(N(C)Cc2cn[nH]c2)c2cnn(C)c2n1
InChIInChI=1S/C12H15N7/c1-8-16-11(10-6-15-19(3)12(10)17-8)18(2)7-9-4-13-14-5-9/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyKZJVFXQYYSJSOD-UHFFFAOYSA-N
XLogP1.03
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine (CID 166260521) is N,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine is Cc1nc(N(C)Cc2cn[nH]c2)c2cnn(C)c2n1.
What is the InChIKey of N,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is KZJVFXQYYSJSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-8-16-11(10-6-15-19(3)12(10)17-8)18(2)7-9-4-13-14-5-9/h4-6H,7H2,1-3H3,(H,13,14).
What are the key properties of N,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
N,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 257.30 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 166260521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).