N,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine

C19H18N6 — CID 7424077

IUPACN,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCn1nnc2c(N(Cc3ccccc3)Cc3ccccc3)ncnc21
InChIInChI=1S/C19H18N6/c1-24-18-17(22-23-24)19(21-14-20-18)25(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
InChIKeyMSDKKDKQPYCJPH-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.97
Rot. Bonds5

About N,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine

N,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7424077) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is N,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID7424077
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC NameN,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCn1nnc2c(N(Cc3ccccc3)Cc3ccccc3)ncnc21
InChIInChI=1S/C19H18N6/c1-24-18-17(22-23-24)19(21-14-20-18)25(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
InChIKeyMSDKKDKQPYCJPH-UHFFFAOYSA-N
XLogP2.97
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine
CID 40532077
N,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7688192
3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine
CID 7688194
N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 61013957
N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7659050
6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19136343
N,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 130162876
N-benzyl-9-ethyl-N-methylpurin-6-amine
CID 163348599
N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 5189840
[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-2-phenylpyrrolidin-2-yl]methanol
CID 167849359
4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135166
4-N,4-N-dibenzyl-5-nitropyrimidine-4,6-diamine
CID 23488261

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine (CID 7424077) is N,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine is Cn1nnc2c(N(Cc3ccccc3)Cc3ccccc3)ncnc21.
What is the InChIKey of N,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is MSDKKDKQPYCJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-24-18-17(22-23-24)19(21-14-20-18)25(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3.
What are the key properties of N,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
N,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 330.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7424077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).