N-methyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

C16H26N6 — CID 56894362

IUPACN-methyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CN(C)Cc1cc2n(n1)CCCNC2
InChIInChI=1S/C16H26N6/c1-12-16(13(2)21(4)18-12)11-20(3)10-14-8-15-9-17-6-5-7-22(15)19-14/h8,17H,5-7,9-11H2,1-4H3
InChIKeyVNWYSNZUAOBPDW-UHFFFAOYSA-N
MW302.43 g/mol
LogP1.36
Rot. Bonds4

About N-methyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

N-methyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 56894362) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is N-methyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
PubChem CID56894362
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC NameN-methyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CN(C)Cc1cc2n(n1)CCCNC2
InChIInChI=1S/C16H26N6/c1-12-16(13(2)21(4)18-12)11-20(3)10-14-8-15-9-17-6-5-7-22(15)19-14/h8,17H,5-7,9-11H2,1-4H3
InChIKeyVNWYSNZUAOBPDW-UHFFFAOYSA-N
XLogP1.36
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (CID 56894362) is N-methyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is Cc1nn(C)c(C)c1CN(C)Cc1cc2n(n1)CCCNC2.
What is the InChIKey of N-methyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is VNWYSNZUAOBPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-12-16(13(2)21(4)18-12)11-20(3)10-14-8-15-9-17-6-5-7-22(15)19-14/h8,17H,5-7,9-11H2,1-4H3.
What are the key properties of N-methyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
N-methyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 302.43 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 56894362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).